Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4172612765
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-4172612765.sdf |
| SMILES | MCULE-4172612765.smiles |
| Standard InChI | MCULE-4172612765.inchi |
| InChIKey | MCULE-4172612765.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867581191 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875740222 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869189972 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-588247918 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-425134742 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-517286892 | Alinda | Building Blocks | 95 | As is | 19 g |
| P-596983721 | Angene | Building Blocks in stock | 98 | As is | 2.08 kg |
| P-494326548 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-870024916 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-864125426 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-666964508 | BLD pharm | In-stock building blocks | 98 | As is | 135 g |
| P-893250612 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-608404914 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-896544469 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580304355 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889109884 | FluoroChem | In Stock BB | 98 | As is | 38 g |
| P-494300322 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
| P-505545541 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-492235020 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-605335691 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-596602949 | Key Organics | Building Blocks | 95 | As is | 500 mg |
| P-870641445 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-893278071 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-31208265 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-588251443 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852377277 | Matrix Scientific | All | N/A | As is | in stock |
| P-854756043 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-12462057 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-500400220 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-502332436 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22530302 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-611405918 | Toronto Research | In stock | 90 | As is | in stock |
| P-608159743 | Trans World Chemicals | A-chem Products | 97 | As is | in stock |
| P-615411711 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 164.157 |
| logP | 1.4244 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 43.37 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.3285 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
